Inorganic Solid Phases

fluorapatite, Ca9.45Th0.01Fe0.12Na0.05Y0.15La0.09Nd0.08Ce0.18P5.36Si0.50O24F2.48Cl0.02 (Ca5[PO4]3F) Crystal Structure

General Information

  • Phase Label(s): Ca5[PO4]3F
  • Structure Class(es): apatite family
  • Classification by Properties: nonmetal
  • Mineral Name(s): fluorapatite
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 43 variables; 546 reflections, R = 0.0181; wR = 0.0398
  • Sample Detail(s): fluorapatite sample from U.S.A. New York, Mineville, electron microprobe analysis; Ca9.45(46)Th0.01(6)Fe0.12(3)Na0.05(3)Y0.15(5)La0.09(10)Nd0.08(9)Ce0.18(12)P5.36(24)Si0.50(9)O24F2.48(12)Cl0.02(2), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca5[PO4]3F
  • Alphabetic Formula: Ca5F[PO4]3
  • Published Formula: fluorapatite, Ca9.45Th0.01Fe0.12Na0.05Y0.15La0.09Nd0.08Ce0.18P5.36Si0.50O24F2.48Cl0.02
  • Refined Formula: Ca5FO12P2.89
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.17 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226162

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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